1-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,3,4-tetrazole-5-thione

Systemtic Name: 1-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(p-tolyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]tetrazole-5-thione CAS Name: 1-(4-methylphenyl)-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-5-tetrazolethione IUPAC Name: 1-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]tetrazole-5-thione Traditional Name: 1-(p-tolyl)-4-[[4-(2-pyrimidyl)piperazino]methyl]tetrazole-5-thione Formula: C17H20N8S MolecularWeight: 368.4593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=S)N(N=N2)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=S)N(N=N2)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C17H20N8S/c1-14-3-5-15(6-4-14)25-17(26)24(20-21-25)13-22-9-11-23(12-10-22)16-18-7-2-8-19-16/h2-8H,9-13H2,1H3